4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine

C16H17Cl2N — CID 19073641

IUPAC4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-11(19)15(12-6-8-14(17)9-7-12)10-13-4-2-3-5-16(13)18/h2-9,11,15H,10,19H2,1H3
InChIKeyUTVHPEJEEIWELK-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.67
Rot. Bonds4

About 4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine

4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine (PubChem CID 19073641) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine
PubChem CID19073641
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-11(19)15(12-6-8-14(17)9-7-12)10-13-4-2-3-5-16(13)18/h2-9,11,15H,10,19H2,1H3
InChIKeyUTVHPEJEEIWELK-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene
CID 63437373
(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride
CID 23404723
3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine
CID 19073696
3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 19073662
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327
5-(2-chlorophenyl)-4-methylpentan-2-amine
CID 64719849
4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine
CID 19073683
(1R)-1-(4-chlorophenyl)-2-[1-(2-chlorophenyl)propan-2-ylamino]ethanol
CID 70002682
3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine
CID 19073588
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
1-[2-[1-(4-chlorophenyl)ethyl]phenyl]ethanamine
CID 143284996
4-amino-1-(2-chlorophenyl)pentan-3-ol
CID 83924263

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine (CID 19073641) is 4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine is CC(N)C(Cc1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine?
The InChIKey is UTVHPEJEEIWELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-11(19)15(12-6-8-14(17)9-7-12)10-13-4-2-3-5-16(13)18/h2-9,11,15H,10,19H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine?
4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine has a molecular weight of 294.23 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine is sourced from PubChem (CID 19073641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).